Citalopram N-oxide

Properties Image MNX_ID MNXM11122 reference chebi:80602 formula C20H21FN2O2 global charge 0 mol weight 340.398 InChIKey DIOGFDCEWUUSBQ-UHFFFAOYSA-N InChI InChI=1S/C20H21FN2O2/c1-23(2,24)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-25-20/h4-9,12H,3,10-11,14H2,1-2H3 SMILES C[N+](C)([O-])CCCC1(C2=CC=C(F)C=C2)OCC2=C1C=CC(C#N)=C2 MNX internals InChI (mnx) InChI=1/C20H21FN2O2/c1-23(2,24)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-25-20/h4-9,12H,3,10-11,14H2,1-2H3/t20? SMILES (mnx) [CH3:1][N+:23]([CH3:2])([CH2:11][CH2:3][CH2:10][C:20]1([C:17]2=[CH:6][CH:8]=[C:18]([F:21])[CH:7]=[CH:5]2)[C:19]2=[C:16]([CH:12]=[C:15]([C:13]#[N:22])[CH:4]=[CH:9]2)[CH2:14][O:25]1)[O-:24]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0